N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

C20H22F3N5O3S — CID 78324487

IUPACN,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc(-c2nc3cc(C(F)(F)F)cnc3n2C)c(S(=O)(=O)CC)c1
InChIInChI=1S/C20H22F3N5O3S/c1-5-28(6-2)19(29)12-8-15(32(30,31)7-3)16(24-10-12)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)4/h8-11H,5-7H2,1-4H3
InChIKeyWGBJYSGFWLXBFI-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.32
Rot. Bonds6

About N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide

N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 78324487) has the molecular formula C20H22F3N5O3S and a molecular weight of 469.49 g/mol. Its IUPAC name is N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID78324487
Molecular FormulaC20H22F3N5O3S
Molecular Weight469.49 g/mol
Exact Mass469.14
IUPAC NameN,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc(-c2nc3cc(C(F)(F)F)cnc3n2C)c(S(=O)(=O)CC)c1
InChIInChI=1S/C20H22F3N5O3S/c1-5-28(6-2)19(29)12-8-15(32(30,31)7-3)16(24-10-12)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)4/h8-11H,5-7H2,1-4H3
InChIKeyWGBJYSGFWLXBFI-UHFFFAOYSA-N
XLogP3.32
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide (CID 78324487) is N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is CCN(CC)C(=O)c1cnc(-c2nc3cc(C(F)(F)F)cnc3n2C)c(S(=O)(=O)CC)c1.
What is the InChIKey of N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is WGBJYSGFWLXBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3S/c1-5-28(6-2)19(29)12-8-15(32(30,31)7-3)16(24-10-12)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)4/h8-11H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide?
N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 78324487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).